Found 1 result

Search term: UWHRNIXHZAWBMF-UHFFFAOYAH (Found by InChIKey (full match))
ChemSpider 2D Image | DILAURYLMETHYLAMINE | C25H53N

DILAURYLMETHYLAMINE

  • Molecular FormulaC25H53N
  • Average mass367.695 Da
  • Monoisotopic mass367.417816 Da
  • ChemSpider ID68688

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Dodecanamine, N-dodecyl-N-methyl- [ACD/Index Name]
220-838-2 [EINECS]
2915-90-4 [RN]
Didodecyl methyl amine
DIDODECYL(METHYL)AMINE
DILAURYLMETHYLAMINE
N-Dodecyl-N-methyl-1-dodecanamin [German] [ACD/IUPAC Name]
N-Dodecyl-N-methyl-1-dodecanamine [ACD/IUPAC Name]
N-Dodécyl-N-méthyl-1-dodécanamine [French] [ACD/IUPAC Name]
N-Dodecyl-N-methyldodecan-1-amine
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

91F5U5022X [DBID]
NSC30889 [DBID]
UNII:91F5U5022X [DBID]
UNII-91F5U5022X [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.8±0.1 g/cm3
Boiling Point: 439.5±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 194.2±17.0 °C
Index of Refraction: 1.455
Molar Refractivity: 121.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 11.75
ACD/LogD (pH 5.5): 8.01
ACD/BCF (pH 5.5): 131427.92
ACD/KOC (pH 5.5): 21470.14
ACD/LogD (pH 7.4): 8.75
ACD/BCF (pH 7.4): 725319.63
ACD/KOC (pH 7.4): 118488.60
Polar Surface Area: 3 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 30.3±3.0 dyne/cm
Molar Volume: 448.5±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  10.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  403.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  126.44  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.57E-007  (Modified Grain method)
    Subcooled liquid VP: 6.75E-006 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.709e-005
       log Kow used: 10.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0019e-005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.86E-002  atm-m3/mole
   Group Method:   1.86E-001  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.173E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.84  (KowWin est)
  Log Kaw used:  -0.119  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.959
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5841
   Biowin2 (Non-Linear Model)     :   0.3212
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7285  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5674  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6218
   Biowin6 (MITI Non-Linear Model):   0.6406
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5412
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0009 Pa (6.75E-006 mm Hg)
  Log Koa (Koawin est  ): 10.959
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00333 
       Octanol/air (Koa) model:  0.0223 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.107 
       Mackay model           :  0.211 
       Octanol/air (Koa) model:  0.641 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 116.6999 E-12 cm3/molecule-sec
      Half-Life =     0.092 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.100 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.159 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.151E+007
      Log Koc:  7.061 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 10.84 (estimated)

 Volatilization from Water:
    Henry LC:  0.186 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.963  hours
    Half-Life from Model Lake :      182.2  hours   (7.592 days)

 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0326          2.2          1000       
   Water     1.9             900          1000       
   Soil      28.1            1.8e+003     1000       
   Sediment  69.9            8.1e+003     0          
     Persistence Time: 3.11e+003 hr

Click to predict properties on the Chemicalize site


Advertisement